NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.9354 8.3249 122.8273 58.2494 40.6234 174.9297 2 V 3.7454 6.9735 119.6240 59.8459 32.5654 177.4314 3 N 4.1574 8.6582 120.4350 56.2551 37.6207 175.5927 4 Q 4.0318 7.9818 119.8732 58.8049 28.8562 177.9666 5 H 4.1393 8.1163 118.7413 59.3561 29.8460 177.2191 6 L 3.9018 8.0073 120.8521 57.6686 41.4495 178.7646 7 C 4.1773 8.6272 119.2676 62.7207 31.4752 175.8810 8 G 3.8159 8.3104 107.2081 47.9661 0.0000 175.3474 9 S 3.9494 7.7955 114.8207 61.5820 62.3504 176.1102 10 H 4.2350 7.9945 118.9198 58.5073 28.4203 177.5828 11 L 3.9817 8.3758 121.2869 58.1610 41.4828 180.1709 12 V 3.4358 7.7600 112.0307 64.0199 31.4892 178.3152 13 E 3.9375 7.8738 118.2615 59.1106 29.4036 178.7113 14 A 3.9918 8.0823 120.8485 55.1652 18.3818 179.6409 15 L 3.6268 7.9196 117.7065 57.7602 41.3667 178.9566 16 Y 4.3347 7.9324 119.5698 60.8984 38.5031 178.4377 17 L 3.8196 7.5988 118.1297 57.6973 41.8319 179.3733 18 V 3.6804 7.6722 117.2747 66.1564 31.8364 177.5597 19 C 4.2961 8.6062 116.7349 60.3928 28.4113 174.9886 20 G 3.5948 8.1555 109.8001 46.6601 0.0000 176.3419 21 E 4.1719 8.7651 122.5826 58.0911 29.6575 178.1153 22 R 3.8797 7.8977 118.3031 57.0797 30.2857 178.2091 23 G 3.9744 8.2713 106.6471 45.4170 0.0000 172.1126 24 F 4.8191 7.5546 110.2112 56.1543 39.8643 173.1453 25 F 4.5337 9.0383 121.0871 56.4724 40.0375 174.7597 26 Y 4.8432 8.7966 126.0246 56.0794 40.1469 175.3556 27 T 4.3718 7.7089 117.2276 58.7447 69.3374 171.6236 28 P 4.1566 0.0000 0.0000 62.6669 32.4472 177.8297 *29 K 4.0140 8.3523 119.9481 55.5786 32.4905 175.3495 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 F 8.32 4.94 0.00 2.91 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 V 6.97 3.75 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.50 0.00 0.00 3 N 8.66 4.16 0.00 3.10 3.40 0.00 0.00 6.13 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 7.98 4.03 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 5 H 8.12 4.14 0.00 3.19 3.42 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.01 3.90 0.00 1.68 1.71 0.80 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.63 4.18 0.00 3.03 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.31 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.80 3.95 0.00 3.73 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 H 7.99 4.24 0.00 3.31 3.31 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.38 3.98 0.00 1.83 1.77 1.04 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.76 3.44 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.87 0.00 0.00 13 E 7.87 3.94 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 14 A 8.08 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.92 3.63 0.00 0.86 0.21 0.79 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.93 4.33 0.00 3.29 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.60 3.82 0.00 1.83 1.68 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.67 3.68 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.95 0.00 0.00 19 C 8.61 4.30 0.00 3.19 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.16 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.77 4.17 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 22 R 7.90 3.88 0.00 2.09 2.04 0.00 3.30 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 23 G 8.27 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 7.55 4.82 0.00 3.20 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 F 9.04 4.53 0.00 3.13 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 8.80 4.84 0.00 3.24 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.71 4.37 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 28 P 0.00 4.16 0.00 2.19 2.02 0.00 3.83 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.08 0.00 *29 K 8.35 4.01 0.00 1.89 1.66 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.12 0.73 7.81 * Residues marked with a * may have inaccurate shift predictions.